Receptor
PDB id Resolution Class Description Source Keywords
5NJF 1.42 Å EC: 3.4.-.- E. COLI MICROCIN-PROCESSING METALLOPROTEASE TLDD/E (TLDD H26 WITH PENTAPEPTIDE BOUND ESCHERICHIA COLI K12 METALLOPROTEASE MICROCIN CCDA DNA GYRASE HYDROLASE
Ref.: THE ORIGINS OF SPECIFICITY IN THE MICROCIN-PROCESSI PROTEASE TLDD/E. STRUCTURE V. 25 1549 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA C:504;
D:706;
A:505;
B:705;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
22.99 Na [Na+]
EDO A:504;
C:503;
D:702;
B:704;
D:705;
B:702;
A:506;
B:703;
D:704;
D:703;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
MES A:503;
D:701;
C:502;
B:701;
A:502;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
195.237 C6 H13 N O4 S C1COC...
ZN C:501;
A:501;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
ALA ALA ALA ALA ALA F:601;
E:601;
 Valid;
Valid;
 none;
none;
 submit data
358.419 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5NJ9 1.25 Å EC: 3.4.-.- E. COLI MICROCIN-PROCESSING METALLOPROTEASE TLDD/E WITH DRVY ANGIOTENSIN FRAGMENT BOUND ESCHERICHIA COLI K-12 METALLOPROTEASE MICROCIN CCDA DNA GYRASE HYDROLASE
Ref.: THE ORIGINS OF SPECIFICITY IN THE MICROCIN-PROCESSI PROTEASE TLDD/E. STRUCTURE V. 25 1549 2017
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5NJ9 - ASP ARG VAL TYR n/a n/a
2 5NJC - VAL LEU GLU ASP ARG ILE n/a n/a
3 5NJB - BB2 C19 H35 N3 O5 CCCCC[C@H]....
4 5NJF - ALA ALA ALA ALA ALA n/a n/a
5 5NJA - HIS PRO PHE n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5NJ9 - ASP ARG VAL TYR n/a n/a
2 5NJC - VAL LEU GLU ASP ARG ILE n/a n/a
3 5NJB - BB2 C19 H35 N3 O5 CCCCC[C@H]....
4 5NJF - ALA ALA ALA ALA ALA n/a n/a
5 5NJA - HIS PRO PHE n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5NJ9 - ASP ARG VAL TYR n/a n/a
2 5NJC - VAL LEU GLU ASP ARG ILE n/a n/a
3 5NJB - BB2 C19 H35 N3 O5 CCCCC[C@H]....
4 5NJF - ALA ALA ALA ALA ALA n/a n/a
5 5NJA - HIS PRO PHE n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA ALA ALA ALA ALA; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ALA ALA ALA ALA 1 1
2 ALA ALA ALA ALA 1 1
3 ALA LEU SER ARG GLN 0.659574 0.666667
4 ALA LEU SER ARG 0.617021 0.666667
5 ALA ALA ALA ALA ALA ALA ALA 0.615385 0.923077
6 ALA ALA SER ALA SER ALA 0.591837 0.648649
7 ALA ALA ALA 0.589744 0.923077
8 ALA GLY GLY ALA ALA ALA ALA ALA 0.566038 0.705882
9 ALA GLY ALA ALA 0.541667 0.727273
10 ALA LYS ALA ALA 0.537037 0.685714
11 ALA VAL ALA 0.5 0.92
12 ILE GLY LEU TRP LYS SER 0.491228 0.666667
13 DAL DAL 0.461538 0.846154
14 ALA GLU ALA ALA GLN ALA 0.460317 0.705882
15 ALA ALA ALA ALA SER ALA ALA 0.45283 0.648649
16 ALA THR ALA ALA 0.44 0.774194
17 LYS TYR PRO PHE VAL GLU PRO ILE 0.431818 0.724138
18 ALA ALA PHE 0.421053 0.766667
19 ALA ALA CE7 0.42 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA ALA ALA ALA ALA; Similar ligands found: 1
No: Ligand Similarity coefficient
1 ALA SER VAL SER ALA 0.8948
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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